@MOLECULE 3-deoxy-d-xylo-hexose 23 22 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6138 0.3847 -1.5837 O.3 1 UNL1111111111 -0.5533 2 O -1.9035 -1.4246 -0.0808 O.3 1 UNL1111111111 -0.5690 3 O 2.3051 1.4331 0.4471 O.3 1 UNL1111111111 -0.5365 4 O -4.1180 0.0195 0.4888 O.3 1 UNL1111111111 -0.5406 5 O 4.0587 -0.5864 0.5710 O.2 1 UNL1111111111 -0.4250 6 C -0.4525 0.4236 -0.1861 C.3 1 UNL1111111111 0.1417 7 C 0.7764 -0.4001 0.2221 C.3 1 UNL1111111111 -0.3662 8 C -1.7250 -0.1393 0.4888 C.3 1 UNL1111111111 0.0342 9 C 2.0376 0.2835 -0.3169 C.3 1 UNL1111111111 0.0474 10 C -2.9433 0.7495 0.1992 C.3 1 UNL1111111111 -0.0642 11 C 3.2011 -0.6961 -0.2698 C.2 1 UNL1111111111 0.2838 12 H -0.3079 1.5083 0.0247 H 1 UNL1111111111 0.1608 13 H 0.8337 -0.4842 1.3245 H 1 UNL1111111111 0.1629 14 H 0.6733 -1.4343 -0.1595 H 1 UNL1111111111 0.1674 15 H -1.5796 -0.2989 1.5783 H 1 UNL1111111111 0.1320 16 H 1.8782 0.6888 -1.3473 H 1 UNL1111111111 0.1792 17 H -3.0472 0.9722 -0.8826 H 1 UNL1111111111 0.1706 18 H -2.9239 1.6956 0.7636 H 1 UNL1111111111 0.1303 19 H -0.9435 -0.5024 -1.8583 H 1 UNL1111111111 0.3335 20 H -2.8662 -1.6044 -0.2069 H 1 UNL1111111111 0.3441 21 H 3.2230 -1.5014 -1.0110 H 1 UNL1111111111 0.1203 22 H 2.9191 1.2231 1.1897 H 1 UNL1111111111 0.3323 23 H -4.2049 -0.1396 1.4495 H 1 UNL1111111111 0.3144 @BOND 1 1 6 1 2 1 19 1 3 2 8 1 4 2 20 1 5 3 9 1 6 3 22 1 7 4 10 1 8 4 23 1 9 5 11 2 10 6 7 1 11 6 8 1 12 6 12 1 13 7 9 1 14 7 13 1 15 7 14 1 16 8 10 1 17 8 15 1 18 9 11 1 19 9 16 1 20 10 17 1 21 10 18 1 22 11 21 1